CAS
1003298-72-3 Purity
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1003298-72-3 Purity
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The molecular formula is C8H10BFO3.
The molecular weight is 183.97 g/mol.
The IUPAC name is (4-fluoro-3-methoxy-5-methylphenyl)boronic acid.
The InChI is InChI=1S/C8H10BFO3/c1-5-3-6(9(11)12)4-7(13-2)8(5)10/h3-4,11-12H,1-2H3.
The InChIKey is LWURTOAWJZDLLJ-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C(=C1)OC)F)C)(O)O.
The CAS number is 1451392-02-1.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 4.
Yes, it is a canonicalized compound.